SCHEMBL5799706

SCHEMBL5799706

O=C(O)C(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.76
MAPK13 O15264 2/20 0.51
PIM1 P11309 1/20 0.51
EPHA2 P29317 1/20 0.48
GSK3A P49840 1/20 0.48
BRAF P15056 11/20 0.48
TLR8 Q9NR97 1/20 0.46
MAP2K1 Q02750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MAPK9 P45984 1/20 0.45
DYRK1A Q13627 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
LIMK1 P53667 1/20 0.44
MARK2 Q7KZI7 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4497345 0.93 CDKN1A (0.79) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5813193 0.91 CDKN1A (0.76) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5808894 0.91 CDKN1A (0.79) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5946441 0.90 CDKN1A (0.73) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5946550 0.90 CDKN1A (0.73) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5811516 0.90 CDKN1A (0.77) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5613426 0.90 CDKN1A (0.77) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5807557 0.89 CDKN1A (0.74) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5812738 0.89 CDKN1A (0.74) CDKN1AMAPK13PIM1EPHA2GSK3A
SCHEMBL5819966 0.88 CDKN1A (0.75) CDKN1AMAPK13PIM1EPHA2GSK3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed